Detailed information for compound 54698

Basic information

Technical information
  • TDR Targets ID: 54698
  • Name: N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-( 5-nitrofuran-2-yl)methanimine
  • MW: 287.292 | Formula: C10H13N3O5S
  • H donors: 0 H acceptors: 4 LogP: 1.26 Rotable bonds: 3 Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CS(=O)(=O)CCN1/N=C/c1ccc(o1)[N+](=O)[O-]
  • InChi: 1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+
  • InChiKey: ARFHIAQFJWUCFH-IZZDOVSWSA-N  

Network

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Synonyms

  • N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitro-2-furyl)methanimine
  • (E)-(1,1-diketo-3-methyl-1,4-thiazinan-4-yl)-[(5-nitro-2-furyl)methylene]amine
  • Nifurtimox
  • (1,1-diketo-3-methyl-1,4-thiazinan-4-yl)-[(5-nitro-2-furyl)methylene]amine
  • 23256-30-6
  • C08002
  • SPBio_003068
  • Prestwick3_001024
  • Prestwick1_001024
  • Prestwick2_001024
  • Prestwick0_001024
  • 3-Methyl-N-[(5-nitro-2-furanyl)methylene]-4-thiomorpholinamine 1,1-dioxide
  • AIDS-007325
  • AIDS007325
  • BSPBio_001207
  • 1-((5-Nitrofurfurylidene)amino)-2-methyltetrahydro-1,4-thiazine-4,4-dioxide
  • 3-Methyl-4-(5'-nitrofurylidene-amino)-tetrahydro-4H-1,4-thiazine-1,1-dioxide
  • 4-((5-Nitrofurfurylidene)amino)-3-methylthiomorpholine 1,1-dioxide
  • 4-((5-Nitrofurfurylidene)amino)-3-methylthiomorpholine-1,1-dioxide
  • 4-Thiomorpholinamine, 3-methyl-N-((5-nitro-2-furanyl)methylene)-, 1,1-dioxide
  • BAY 2502
  • Bayer 2502
  • CCRIS 2201
  • EINECS 245-531-0
  • Lampit
  • Nifurtimox [BAN:INN]
  • Nifurtimoxum [INN-Latin]
  • Tetrahydro-3-methyl-4-((5-nitrofurfurylidene)amino)-2H-1,4-thiazine 1,1-dioxide
  • Thiomorpholine, 3-methyl-4-((5-nitrofurfurylidene)amino)-, 1,1-dioxide
  • D00833
  • Lampit (TN)
  • Nifurtimox (INN)
  • BPBio1_001329

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Trypanosoma cruzi nitroreductase Curated by TDR Targets References
Leishmania major trypanothione reductase Curated by TDR Targets References
Trypanosoma cruzi nitroreductase Curated by TDR Targets References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis nitroreductase-like protein Get druggable targets OG5_132153 All targets in OG5_132153
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana nitroreductase-like protein Get druggable targets OG5_132153 All targets in OG5_132153
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum nitroreductase-like protein Get druggable targets OG5_132153 All targets in OG5_132153
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani nitroreductase-like protein Get druggable targets OG5_132153 All targets in OG5_132153
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense nitroreductase, putative,NADH dehydrogenase, putative Get druggable targets OG5_132153 All targets in OG5_132153
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi nitroreductase Get druggable targets OG5_132153 All targets in OG5_132153
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi nitroreductase Get druggable targets OG5_132153 All targets in OG5_132153
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei nitroreductase Get druggable targets OG5_132153 All targets in OG5_132153
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense nitroreductase Get druggable targets OG5_132153 All targets in OG5_132153
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major nitroreductase-like protein Get druggable targets OG5_132153 All targets in OG5_132153
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast trypanothione reductase 491 aa 551 aa 23.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) Toxicity against Trypanosoma cruzi infected CD1 mouse assessed as effect on liver histology at 300 mg/kg, ip ChEMBL. 18255195
Activity (ADMET) Toxicity against Trypanosoma cruzi infected CD1 mouse assessed as effect on kidney histology at 300 mg/kg, ip ChEMBL. 18255195
Activity (functional) Antitrypanosomal activity against Trypanosoma cruzi Argentinian isolate infected Swiss mouse assessed as prevention of skeletal muscle inflammatory infiltrates at 60 mg/kg/day, po ChEMBL. 18255195
Activity (functional) Antitrypanosomal activity against Trypanosoma cruzi Argentinian isolate infected Swiss mouse assessed as prevention of heart inflammatory infiltrates at 60 mg/kg/day, po ChEMBL. 18255195
Activity (ADMET) Toxicity against Trypanosoma cruzi infected CD1 mouse assessed as effect on heart histology at 450 mg/kg, po ChEMBL. 18255195
Activity (ADMET) Toxicity against Trypanosoma cruzi infected CD1 mouse assessed as effect on kidney histology at 450 mg/kg, po ChEMBL. 18255195
Activity (functional) Antitrypanosomal activity against Trypanosoma cruzi Argentinian isolate infected Swiss mouse assessed as inhibition of heart amastigote nests at 60 mg/kg/day, po ChEMBL. 18255195
Activity (functional) Antimicrobial activity against Trypanosoma brucei infected in NMRI mouse assessed as decrease in parasitemia level at 100 mg/kg, ip QD for 3 days measured after 30 days by neubuaer hemocytometry ChEMBL. 20439607
Activity (ADMET) Toxicity against Trypanosoma cruzi infected CD1 mouse assessed as effect on liver histology at 450 mg/kg, po ChEMBL. 18255195
Activity (functional) Antitrypanosomal activity against Trypanosoma cruzi Argentinian isolate infected Swiss mouse assessed as prevention of liver congestion at 60 mg/kg/day, po ChEMBL. 18255195
Activity (ADMET) Toxicity against Trypanosoma cruzi infected CD1 mouse assessed as effect on heart histology at 300 mg/kg, ip ChEMBL. 18255195
Activity (ADMET) Toxicity in NMRI mouse up to 200 mg/kg, ip QD daily for 3 days ChEMBL. 20439607
Activity (functional) Antitrypanosomal activity against Trypanosoma cruzi Argentinian isolate infected Swiss mouse assessed as inhibition of skeletal muscle amastigote nests at 60 mg/kg/day, po ChEMBL. 18255195
Activity (functional) = 0 % Unspecific cytotoxicity against murine J774 macrophages at 1 ug/ml ChEMBL. 16455249
Activity (functional) = 0 % Unspecific cytotoxicity against murine J774 macrophages at 1 ug/ml ChEMBL. 16455249
Activity (ADMET) = 0 % Toxicity in CD1 mouse assessed as decrease in weight respect to day zero at 300 mg/kg, po after 3 days ChEMBL. 19446929
Activity (ADMET) = 0 % Cytotoxicity against mouse J774 cells assessed as reduction in cell viability at 1 ug/ml after 24 hrs by resazurin-based colorimetric assay ChEMBL. 21605926
Activity (ADMET) = 0 % Cytotoxicity against mouse J774 cells at 1 ug/mL after 24 hrs by MTT assay ChEMBL. 24513185
Activity (functional) = 0.6 % Unspecific cytotoxicity against murine J774 macrophages at 10 ug/ml ChEMBL. 16455249
Activity (functional) = 0.6 % Unspecific cytotoxicity against murine J774 macrophages at 10 ug/ml ChEMBL. 16455249
Activity (ADMET) = 0.6 % Cytotoxicity against mouse J774 cells assessed as reduction in cell viability at 10 ug/ml after 24 hrs by resazurin-based colorimetric assay ChEMBL. 21605926
Activity (ADMET) = 3 % Toxicity in CD1 mouse assessed as decrease in weight respect to day zero at 300 mg/kg, ip after 3 days ChEMBL. 19446929
Activity (ADMET) = 6 % Toxicity in CD1 mouse assessed as decrease in weight respect to day zero at 450 mg/kg, po after 3 days ChEMBL. 19446929
Activity (functional) = 25.9 % Unspecific cytotoxicity against murine J774 macrophages at 100 ug/ml ChEMBL. 16455249
Activity (functional) = 25.9 % Unspecific cytotoxicity against murine J774 macrophages at 100 ug/ml ChEMBL. 16455249
Activity (ADMET) = 25.9 % Cytotoxicity against mouse J774 cells assessed as reduction in cell viability at 100 ug/ml after 24 hrs by resazurin-based colorimetric assay ChEMBL. 21605926
Activity (ADMET) = 39.3 % Toxicity in CD1 mouse assessed as hematocrite level at 300 mg/kg, ip after 3 days ChEMBL. 19446929
Activity (ADMET) = 40 % Cytotoxicity against human Caco-2 cells at 25 uM by MTT assay ChEMBL. 19900812
Activity (ADMET) = 42 % Cytotoxicity against mouse L929 cells assessed as metabolic activity at 100 uM after 48 hrs by Alamar Blue assay relative to untreated control ChEMBL. 25576738
Activity (ADMET) = 42.4 % Toxicity in CD1 mouse assessed as hematocrite level at 450 mg/kg, po after 3 days ChEMBL. 19446929
Activity (functional) = 50.89 % Antitrypanosomal activity against Trypanosoma cruzi SN3 trypomastigotes infected in african green monkey Vero cells assessed as parasite viability at 3.4 uM after 24 hrs by MTT assay ChEMBL. 18762357
Activity (functional) = 52.5 % Antitrypanosomal activity against trypomastigote stage of Trypanosoma cruzi Dm28c at 10 umol/L after 24 hrs by MTT assay ChEMBL. 22832320
Activity (functional) = 66.3 % Antitrypanosomal activity against Trypanosoma cruzi Tulahuen assessed as trypomastigote viability at 9.5 uM by MTT assay relative to control ChEMBL. 18029184
Activity (functional) = 66.3 % Antitrypanosomal activity against Trypanosoma cruzi Tulahuen assessed as trypomastigote viability at 9.5 uM by MTT assay relative to control ChEMBL. 18029184
Activity (functional) = 75.5 % Antitrypanosomal activity against Trypanosoma cruzi epimastigotes at 1 ug/ml ChEMBL. 16455249
Activity (functional) = 75.5 % Antitrypanosomal activity against Trypanosoma cruzi epimastigotes at 1 ug/ml ChEMBL. 16455249
Activity (functional) = 75.5 % Antitrypanosomal activity against epimastigote forms of Trypanosoma cruzi CL-B5 transfected with Escherichia coli beta-galactosidase gene LacZ at 1 ug/ml after 72 hrs by chlorophenol red-Beta-D-galactopyranoside-based assay ChEMBL. 21605926
Activity (functional) = 75.5 % Trypanocidal activity against epimastigote stage of Trypanosoma cruzi CL Brener at 1 ug/mL after 72 hrs by beta-galactosidase reporter gene assay relative to control ChEMBL. 24513185
Activity (functional) = 80 % Effect on oxygen redox cycling in Trypanosoma cruzi Y epimastigotes assessed as rate of oxygen consumption at 180 uM in presence of cyanide relative to control ChEMBL. 17981471
Activity (functional) = 80 % Effect on oxygen redox cycling in Trypanosoma cruzi Y epimastigotes assessed as rate of oxygen consumption at 180 uM in presence of cyanide relative to control ChEMBL. 17981471
Activity (functional) = 80 % Antitrypanosomal activity against Trypanosoma cruzi Y epimastigotes assessed as cell death at 10 uM after 2 days by MTT assay relative to control ChEMBL. 21506600
Activity (functional) = 87 % Antitrypanosomal activity against Trypanosoma cruzi Colombiana assessed as parasitic cytotoxicity at 25 uM after 5 days by MTT assay ChEMBL. 19616875
Activity (functional) = 87 % Antitrypanosomal activity against Trypanosoma cruzi Colombiana epimastigotes assessed as cell death at 10 uM after 2 days by MTT assay relative to control ChEMBL. 21506600
Activity (functional) = 88.1 % Antitrypanosomal activity against Trypanosoma cruzi amastigotes at 1 ug/ml ChEMBL. 16455249
Activity (functional) = 88.1 % Antitrypanosomal activity against Trypanosoma cruzi amastigotes at 1 ug/ml ChEMBL. 16455249
Activity (functional) = 88.14 % Antitrypanosomal activity against amastigote forms of Trypanosoma cruzi CL-B5 expressing Escherichia coli LacZ gene infected in NCTC929 fibroblasts at 1 ug/ml after 7 days by chlorophenol red-Beta-D-galactopyranoside-based assay ChEMBL. 21605926
Activity (functional) = 90 % Antitrypanosomal activity against Trypanosoma cruzi epimastigotes at 10 ug/ml ChEMBL. 16455249
Activity (functional) = 90 % Antitrypanosomal activity against Trypanosoma cruzi epimastigotes at 10 ug/ml ChEMBL. 16455249
Activity (functional) = 90 % Antitrypanosomal activity against Trypanosoma cruzi CL Brener epimastigotes assessed as parasitic cytotoxicity at 25 uM after 5 days by MTT assay ChEMBL. 19616875
Activity (functional) = 90 % Antitrypanosomal activity against Trypanosoma cruzi CL Brener clone epimastigotes assessed as cell death at 10 uM after 2 days by MTT assay relative to control ChEMBL. 21506600
Activity (functional) = 90 % Antitrypanosomal activity against epimastigote forms of Trypanosoma cruzi CL-B5 transfected with Escherichia coli beta-galactosidase gene LacZ at 10 ug/ml after 72 hrs by chlorophenol red-Beta-D-galactopyranoside-based assay ChEMBL. 21605926
Activity (functional) = 94.2 % Antiparasitic activity against Trypanosoma cruzi Y trypomastigotes infected in rhesus monkey LLC-MK2 cells followed by re-infection of amastigotes in human U2OS cells assessed as reduction in parasite infection level after 96 hrs by draq5 staining based assay relative to control ChEMBL. 26774924
Activity (functional) = 94.4 % Antitrypanosomal activity against Trypanosoma cruzi amastigotes at 10 ug/ml ChEMBL. 16455249
Activity (functional) = 94.4 % Antitrypanosomal activity against Trypanosoma cruzi amastigotes at 10 ug/ml ChEMBL. 16455249
Activity (functional) = 94.44 % Antitrypanosomal activity against amastigote forms of Trypanosoma cruzi CL-B5 expressing Escherichia coli LacZ gene infected in NCTC929 fibroblasts at 10 ug/ml after 7 days by chlorophenol red-Beta-D-galactopyranoside-based assay ChEMBL. 21605926
Activity (functional) = 98.7 % Antitrypanosomal activity against Trypanosoma cruzi epimastigotes at 100 ug/ml ChEMBL. 16455249
Activity (functional) = 98.7 % Antitrypanosomal activity against Trypanosoma cruzi epimastigotes at 100 ug/ml ChEMBL. 16455249
Activity (functional) = 98.7 % Antitrypanosomal activity against epimastigote forms of Trypanosoma cruzi CL-B5 transfected with Escherichia coli LacZ gene at 100 ug/ml after 72 hrs by chlorophenol red-Beta-D-galactopyranoside-based assay ChEMBL. 21605926
Activity (functional) = 100 % Antitrypanosomal activity against Trypanosoma cruzi amastigotes at 100 ug/ml ChEMBL. 16455249
Activity (functional) = 100 % Antitrypanosomal activity against Trypanosoma cruzi infected NMRI mice at 50 mg/kg/day ChEMBL. 16455249
Activity (functional) = 100 % Antitrypanosomal activity against Trypanosoma cruzi amastigotes at 100 ug/ml ChEMBL. 16455249
Activity (functional) = 100 % Antitrypanosomal activity against Trypanosoma cruzi infected NMRI mice at 50 mg/kg/day ChEMBL. 16455249
Activity (functional) = 100 % Antitrypanosomal activity against amastigote forms of Trypanosoma cruzi CL-B5 expressing Escherichia coli LacZ gene infected in NCTC929 fibroblasts at 100 ug/ml after 7 days by chlorophenol red-Beta-D-galactopyranoside-based assay ChEMBL. 21605926
Activity (functional) = 113 % Effect on oxygen redox cycling in Trypanosoma cruzi Tulahuen assessed as oxygen consumption per mg of protein relative to control ChEMBL. 18029184
Activity (functional) = 113 % Effect on oxygen redox cycling in Trypanosoma cruzi Tulahuen assessed as oxygen consumption per mg of protein relative to control ChEMBL. 18029184
Activity (functional) = 117 % Effect on oxygen uptake in Trypanosoma cruzi Y epimastigotes assessed as rate of oxygen consumption at 180 uM relative to control ChEMBL. 17981471
Activity (functional) = 117 % Effect on oxygen uptake in Trypanosoma cruzi Y epimastigotes assessed as rate of oxygen consumption at 180 uM relative to control ChEMBL. 17981471
Activity (functional) = 120.4 % Effect on oxygen uptake per mg of protein in Trypanosoma cruzi Tulahuen epimastigotes relative to control ChEMBL. 18029184
Activity (functional) = 120.4 % Effect on oxygen uptake per mg of protein in Trypanosoma cruzi Tulahuen epimastigotes relative to control ChEMBL. 18029184
Activity (ADMET) = 5100 /uL Toxicity in CD1 mouse assessed as leukocyte level at 300 mg/kg, ip after 3 days ChEMBL. 19446929
Activity (ADMET) = 6700 /uL Toxicity in CD1 mouse assessed as leukocyte level at 450 mg/kg, po after 3 days ChEMBL. 19446929
Activity (ADMET) = 13.2 g/L Toxicity in CD1 mouse assessed as haemoglobin level at 300 mg/kg, ip after 3 days ChEMBL. 19446929
Activity (ADMET) = 13.5 g/L Toxicity in CD1 mouse assessed as haemoglobin level at 450 mg/kg, po after 3 days ChEMBL. 19446929
Activity (ADMET) = 32.5 IU/L Toxicity in CD1 mouse assessed as glutamic-pyruvate transaminase level at 300 mg/kg, ip after 3 days ChEMBL. 19446929
Activity (ADMET) = 49 IU/L Toxicity in CD1 mouse assessed as glutamic-pyruvate transaminase level at 450 mg/kg, po after 3 days ChEMBL. 19446929
Activity (ADMET) = 162 IU/L Toxicity in CD1 mouse assessed as glutamic-oxalacetate transaminase level at 450 mg/kg, po after 3 days ChEMBL. 19446929
Activity (ADMET) = 177 IU/L Toxicity in CD1 mouse assessed as glutamic-oxalacetate transaminase level at 300 mg/kg, ip after 3 days ChEMBL. 19446929
Activity (functional) = 0.6 ug ml-1 Increase in squalene biosynthesis in Trypanosoma cruzi tulahuen 2 epimastigotes at ID50 concentration per 8 x 10'6 cells/ml after 120 mins by HPLC analysis (Rvb=0.6 to 2.1 ug/ml) ChEMBL. 19811923
CC50 (functional) = 2.7 uM Antitrypanosomal activity against Trypanosoma cruzi Y metacyclic trypomastigotes isolated from infected LLC-MK2 cells assessed as parasite viability after 24 hrs by neubauer chamber analysis ChEMBL. 24561675
CC50 (functional) = 2.7 uM Antiparasitic activity against trypomastigotes of Trypanosoma cruzi Y assessed as reduction of parasite count after 24 hrs ChEMBL. 26231082
CC50 (functional) > 50 uM Tested for cytotoxicity towards human MRC-5 cells ChEMBL. 12443785
CC50 (functional) > 50 uM Tested for cytotoxicity towards human MRC-5 cells ChEMBL. 12443785
CC50 (ADMET) = 97.2 uM Cytotoxicity against human U2OS cells assessed as reduction in cell viability ChEMBL. 26774924
delta logD (ADMET) = 0 Delta logD (logD6.5 - logD7.4) ChEMBL. 10891117
Drug uptake (ADMET) = 3 uM Drug level in serum of patient with human african trypanosomiasis at 15 mg/kg, po administered every 8 hrs for 10 days ChEMBL. 20439607
EC50 (functional) = 1708 nM Trypanocidal activity against Trypanosoma brucei rhodesiense Z310 after 72 hrs by Alamar blue assay ChEMBL. 23281892
EC50 (functional) = 0.26 uM Antimicrobial activity against Trypanosoma brucei gambiense ChEMBL. 20439607
EC50 (functional) = 0.7 uM Antitrypanosomal activity against Trypanosoma cruzi Sylvio-X10/7 infected in BESM cells measured after 88 hrs postinfection by HTS assay ChEMBL. 20547819
EC50 (functional) = 1.2 uM Antitrypanosomal activity against Trypanosoma cruzi CA-I/72 infected in BESM cells measured after 88 hrs postinfection by HTS assay ChEMBL. 20547819
EC50 (functional) = 1.26 uM Antiparasitic activity against Trypanosoma cruzi Y trypomastigotes infected in rhesus monkey LLC-MK2 cells followed by re-infection of amastigotes in human U2OS cells assessed as reduction in parasite infection level after 96 hrs by draq5 staining based assay ChEMBL. 26774924
EC50 (functional) = 2.1 uM Antitrypanosomal activity against Trypanosoma cruzi PSD-I infected in BESM cells measured after 88 hrs postinfection by HTS assay ChEMBL. 20547819
EC50 (functional) = 2.4 uM Antimicrobial activity against Trypanosoma brucei ChEMBL. 20439607
EC50 (functional) = 7.3 uM Trypanocidal activity against bloodstream form of N-(4-(allyloxy)-3-(trifluoromethyl)phenyl)-5-nitrofuran-2-carboxamide-resistant Trypanosoma brucei after 72 hrs by Alamar blue assay ChEMBL. 23281892
EC50 (functional) = 20.1 uM Antimicrobial activity against Trypanosoma brucei NfxR1 ChEMBL. 20439607
EC50 (functional) = 20.3 uM Antimicrobial activity against Trypanosoma brucei NfxR2 ChEMBL. 20439607
EC50 (ADMET) = 91.2 uM Cytotoxicity against human HeLa cells after 65 hrs by Alamar blue assay ChEMBL. 23281892
ED50 (functional) = 36.7 mg kg-1 Antimicrobial activity against Trypanosoma brucei infected in NMRI mouse at 128 mg/kg, ip QD for 4 days ChEMBL. 20439607
ED50 (functional) = 0.4 uM Evaluated in vitro for antitrypanosomal activity against Trypanosoma cruzi ChEMBL. 12443785
ED50 (functional) = 0.4 uM Evaluated in vitro for antitrypanosomal activity against Trypanosoma cruzi ChEMBL. 12443785
ED99 (functional) = 128 mg kg-1 Antimicrobial activity against Trypanosoma brucei infected in NMRI mouse at 128 mg/kg, ip QD for 4 days ChEMBL. 20439607
F (ADMET) = 79 % Oral bioavailability in human ChEMBL. 10891117
GI (ADMET) = 0 % Growth inhibition of mouse J774 cells at 64 uM after 24 hrs by resazurin reduction assay ChEMBL. 23124218
GI (functional) = 46 % Growth inhibition of Trypanosoma cruzi Tulahuen 2 epimastigote at 5 uM after 5 days ChEMBL. 19446929
GI (functional) = 49.9 % Trypanocidal activity against Trypanosoma cruzi Y epimastigotes infected in mouse J774 cells assessed as growth inhibition of parasite at 5 uM measured on day 5 ChEMBL. 25008454
GI (functional) = 91.57 % Growth inhibition of epimastigote form of Trypanosoma cruzi CL-B5 at 64 uM after 72 hrs by lacZ reporter gene assay ChEMBL. 23124218
GI (functional) = 93 % Antitrypanosomatid activity against Trypanosoma cruzi Tulahuen 2 epimastigote form at 25 uM ChEMBL. 16722639
GI (functional) = 93 % Antitrypanosomatid activity against Trypanosoma cruzi Tulahuen 2 epimastigote form at 25 uM ChEMBL. 16722639
GI (functional) = 96.54 % Antimicrobial activity against amastigote stage of Trypanosoma cruzi CL Brener infected in mouse NCTC-929 cells assessed as growth inhibition at 0.5 uM after 7 days by beta-galactosidase reporter gene assay ChEMBL. 24461296
GI (functional) = 100 % Growth inhibition of Trypanosoma cruzi epimastigotes Tulahuen 2 at 25 uM ChEMBL. 18083035
GI (functional) = 100 % Growth inhibition of Trypanosoma cruzi epimastigotes Tulahuen 2 at 25 uM ChEMBL. 18083035
GI (functional) = 100 % Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 at 25 uM after 5 days ChEMBL. 17709156
GI (functional) = 100 % Growth inhibition of Trypanosoma cruzi CL-Brener clone epimastigotes infected in mouse blood at 25 uM measured on day 5 postinfection by Brener method ChEMBL. 18762357
GI (functional) = 100 % Antitrypanosomal activity against epimastigotes of Trypanosoma cruzi Tulahuen 2 at 25 uM relative to control ChEMBL. 18547811
GI (functional) = 100 % Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 assessed as inhibition of epimastigotes growth at 50 uM ChEMBL. 20116908
GI (functional) = 100 % Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes assessed as inhibition of parasite growth at 25 uM relative to control ChEMBL. 20634064
GI (functional) = 100 % Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes assessed as growth inhibition at 25 uM after 5 days relative to control ChEMBL. 21506600
GI (functional) = 100 % Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes assessed as inhibition of parasite growth at 25 uM after 5 days by spectrophotometric analysis ChEMBL. 22000947
GI (functional) = 100 % Antichagasic activity against epimastigote form of Trypanosoma cruzi Tulahuen 2 assessed as parasite growth inhibition at 25 uM measured on day 5 relative to control ChEMBL. 23811257
GI50 (functional) = 3.78 uM Antitrypanosomal activity against epimastigote stage of Trypanosoma cruzi Y assessed as parasite growth inhibition after 5 days by spectrophotometric analysis ChEMBL. 23644203
IC50 (functional) Antileishmanial activity against Leishmania donovani ChEMBL. 17629327
IC50 (functional) Antiplasmodial activity against Plasmodium falciparum W2 by flow cytometry ChEMBL. 20131843
IC50 (binding) Inhibition of Electrophorus electricus acetylcholinesterase pre-incubated for 20 mins before acetylthiocholine iodide substrate addition by spectrophotometry ChEMBL. 26479031
IC50 (functional) Antitrypanosomal activity against extracellular Trypanosoma cruzi Tulahuen clone C4 ChEMBL. 15497945
IC50 (functional) Antitrypanosomal activity against Trypanosoma cruzi epimastigotes after 3 days ChEMBL. 12880308
IC50 (ADMET) Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 mins by spectrophotometric analysis LITERATURE. 27591008
IC50 (functional) 0 Antileishmanial activity against Leishmania donovani ChEMBL. 17629327
IC50 (functional) 0 Cytotoxicity against human MCF7 cells ChEMBL. 17629327
IC50 (functional) 0 Cytotoxicity against human NCI-H460 ChEMBL. 17629327
IC50 (ADMET) 0 Cytotoxicity against human Vero cells by MTT assay ChEMBL. 17629327
IC50 (functional) = 3 ug ml-1 Antitrypanosomal activity against Trypanosoma cruzi ChEMBL. 19007286
IC50 (functional) = 3 ug ml-1 Antitrypanosomal activity against Trypanosoma cruzi Tulahuen infected in mouse 3T3 cells assessed as beta-galactosidase activity after 7 days by chagas bioassay ChEMBL. 20441198
IC50 (functional) uM Inhibitory concentration of the compound in vitro against blood stream trypanosoma brucei brucei AT1 knockout mutant with a non functional P2 transporter; ND is not determined ChEMBL. 16107157
IC50 (functional) uM Cytotoxicity of the compound was determined in macrophages; ND = Not determined ChEMBL. 15203133
IC50 (functional) uM In vitro anti protozoal activity of the compound against Plasmodium falciparum sensitive strain W2; ND = Not determined ChEMBL. 15203133
IC50 (functional) uM In vitro anti protozoal activity of the compound against Trypanosoma brucei strain S427 was determined; ND = Not determined ChEMBL. 15203133
IC50 (functional) uM In vitro anti protozoal activity of the compound against Plasmodium falciparum resistant strain Ghana ;ND = Not determined ChEMBL. 15203133
IC50 (functional) uM In vitro anti protozoal activity of the compound against Leishmania infantum strain MHOM-ET-67/L82 was determined; ND = Not determined ChEMBL. 15203133
IC50 (functional) 0 uM In vitro anti protozoal activity of the compound against Trypanosoma brucei strain S427 was determined; ND = Not determined ChEMBL. 15203133
IC50 (functional) 0 uM In vitro anti protozoal activity of the compound against Leishmania infantum strain MHOM-ET-67/L82 was determined; ND = Not determined ChEMBL. 15203133
IC50 (functional) 0 uM In vitro anti protozoal activity of the compound against Leishmania amazonensis strain MHOM/ET/L82/LV9 was determined; ND = Not determined ChEMBL. 15203133
IC50 (functional) 0 uM Cytotoxicity of the compound was determined in macrophages; ND = Not determined ChEMBL. 15203133
IC50 (functional) 0 uM In vitro anti protozoal activity of the compound against Plasmodium falciparum sensitive strain W2; ND = Not determined ChEMBL. 15203133
IC50 (functional) 0 uM In vitro anti protozoal activity of the compound against Plasmodium falciparum resistant strain Ghana ;ND = Not determined ChEMBL. 15203133
IC50 (functional) 0 uM Cytotoxicity of the compound was determined in MRC-5 cells; ND = Not determined ChEMBL. 15203133
IC50 (functional) = 0.13 uM Trypanocidal activity against bloodstream forms of Trypanosoma brucei brucei Lister 427 clone 221a overexpressing type I nitroreductase assessed as inhibition of proliferation after 3 days by resazurin assay in presence of tetracycline ChEMBL. 25240098
IC50 (functional) = 0.13 uM Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei Lister 427 clone 221a overexpressing tet-inducible NTR in absence of tetracycline after 3 days ChEMBL. 22550999
IC50 (functional) = 0.13 uM Antitrypanosomal activity against tetracycline-induced blood-stream Trypanosoma brucei brucei overexpressing type 1 nitroreductase after 3 days by alamar blue assay ChEMBL. 22023653
IC50 (functional) = 0.24 uM Antitrypanosomal activity against Trypanosoma cruzi clone Cl-Brener infected in african green monkey Vero cells assessed as growth inhibition after 3 days by luciferase reporter gene assay ChEMBL. 20679506
IC50 (functional) = 0.26 uM Antitrypanosomal activity against Trypanosoma brucei bloodstream form overexpressing nitroreductase assessed as growth inhibition after 3 days by Alamar blue assay ChEMBL. 23031595
IC50 (functional) = 0.39 uM In vitro anti-protozoal parasite activity of the compound against T. cruzi TC-1 ChEMBL. 12781185
IC50 (functional) = 0.39 uM In vitro anti-protozoal parasite activity of the compound against T. cruzi TC-1 ChEMBL. 12781185
IC50 (functional) = 0.39 uM Antitrypanosomal activity against Trypanosoma cruzi Tulahuen CL2 by microdilution method ChEMBL. 15497942
IC50 (functional) = 0.43 uM Antiparasitic activity against blood stream form of Trypanosoma brucei brucei overexpressing type-1 nitroreductase after 3 days by Alamar blue assay in presence of tetracycline ChEMBL. 26344593
IC50 (functional) = 0.43 uM Antimicrobial activity against bloodstream forms of Trypanosoma brucei brucei overexpressing type I nitroreductase assessed as reduction in cell viability after 3 days by alamar blue assay in presence of tetracycline ChEMBL. 26363868
IC50 (functional) = 0.45 uM In vitro anti protozoal activity against Trypanosoma cruzi strain Tulahuen CL2 was determined ChEMBL. 15203133
IC50 (functional) = 0.45 uM In vitro anti protozoal activity against Trypanosoma cruzi strain Tulahuen CL2 was determined ChEMBL. 15203133
IC50 (functional) = 0.45 uM Antitrypanosomal activity against Trypanosoma cruzi Sylvio X-10 amastigotes infected in African green monkey Vero cells assessed as eradication of amastigotes after 72 hrs by Giemsa staining-based assay ChEMBL. 24749923
IC50 (functional) < 0.5 uM Antimicrobial activity against amastigote stage of Trypanosoma cruzi CL Brener infected in mouse NCTC-929 cells assessed as growth inhibition after 7 days by beta-galactosidase reporter gene assay ChEMBL. 24461296
IC50 (functional) = 0.52 uM Antitrypanosomal activity against Trypanosoma cruzi Tulahuen C4 in african green monkey Vero cells after 120 hrs ChEMBL. 18798609
IC50 (functional) = 0.7 uM Trypanocidal activity against nifurtimox-sensitive Trypanosoma cruzi Tulahuen CL2 infected in human MRC5 SV2 cells assessed as parasite growth inhibition after 168 hrs by beta-galactosidase assay ChEMBL. 25199582
IC50 (functional) = 0.869 uM Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei overexpressing type I nitroreductase assessed as inhibition of parasite growth after 3 days by resazurin assay in presence of tetracycline ChEMBL. 27092415
IC50 (functional) = 1.4 uM Antiparasitic activity against Trypanosoma cruzi 320I04 intracellular amastigotes infected in african green monkey Vero cells after 72 hrs ChEMBL. 19321339
IC50 (functional) = 1.5 uM In vitro inhibitory concentration of the compound against intracellular amastigotes of trypanosoma cruzi in rat skeletal myoblasts incubated for 37 degree C for 4 days ChEMBL. 16107157
IC50 (functional) = 1.5 uM Inhibitory concentration of the compound in vitro against blood stream Trypanosoma brucei rhodesiense incubated for 72 h at 37 degree C ChEMBL. 16107157
IC50 (functional) = 1.7 uM Antitrypanosomal activity against Trypanosoma brucei MITat 427 clone 221a trypomastigotes after 3 days by alamar blue assay ChEMBL. 22248858
IC50 (functional) = 1.71 uM Trypanocidal activity against bloodstream forms of Trypanosoma brucei brucei Lister 427 clone 221a overexpressing type I nitroreductase assessed as inhibition of proliferation after 3 days by resazurin assay in absence of tetracycline ChEMBL. 25240098
IC50 (functional) = 1.71 uM Antitrypanosomal activity against blood-stream Trypanosoma brucei brucei expressing type 1 nitroreductase after 3 days by alamar blue assay in absence of tetracycline ChEMBL. 22023653
IC50 (functional) = 1.71 uM Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei Lister 427 clone 221a overexpressing tet-inducible NTR in presence of tetracycline after 3 days ChEMBL. 22550999
IC50 (functional) = 1.8 uM Antiparasitic activity against Trypanosoma brucei BSF after 3 days by Alamar blue assay ChEMBL. 20028822
IC50 (functional) = 1.8 uM Trypanocidal activity against Trypanosoma cruzi ChEMBL. 23518280
IC50 (functional) = 1.83 uM Antitrypanosomal activity against wild type Trypanosoma brucei bloodstream form assessed as growth inhibition after 3 days by Alamar blue assay ChEMBL. 23031595
IC50 (functional) = 1.9 uM Antitrypanosomal activity against Trypanosoma cruzi Y epimastigote form after 11 days by Trypan blue exclusion method ChEMBL. 19539479
IC50 (functional) = 2 uM Antimicrobial activity against Trypanosoma brucei rhodesiense ChEMBL. 20185316
IC50 (functional) = 2.06 uM Antitrypanosomal activity against Trypanosoma brucei BSF overexpressing NTR gene assessed as growth inhibition after 3 days by Alamar blue assay ChEMBL. 20679506
IC50 (functional) = 2.1 uM Antitrypanosomal activity against Trypanosoma cruzi clone CL-Brener epimastigotes after 14 days by alamar blue assay ChEMBL. 22248858
IC50 (functional) = 2.3 uM Antitrypanosomal activity against Trypanosoma cruzi 320I01 amastigotes infected in african green monkey Vero cells after 5 days by Giemsa staining ChEMBL. 20627590
IC50 (functional) = 2.33 uM Antitrypanosomal activity against Trypanosoma cruzi 320I01 epimastigotes after 72 hrs by haemocytometry ChEMBL. 20627590
IC50 (functional) = 2.7 uM Antitrypanosomal activity against trypomastigotes of Trypanosoma cruzi Y infected in LLC-MK2 cells assessed as parasite motility after 24 hrs ChEMBL. 23167554
IC50 (functional) = 2.8 uM Antimicrobial activity against Trypanosoma cruzi infected in rat L6E9 myoblasts assessed as inhibition of [3H]uracil incorporation by giemsa staining ChEMBL. 20625148
IC50 (functional) = 2.9 uM Trypanocidal activity against bloodstream forms of Trypanosoma brucei brucei Lister 427 clone 221a after 72 hrs by AlamarBlue assay ChEMBL. 24119553
IC50 (functional) = 3.4 uM Trypanocidal activity against Trypanosoma brucei brucei after 48 hrs ChEMBL. 16516467
IC50 (functional) = 3.4 uM Antitrypanosomal activity against Trypanosoma cruzi CL-Brener clone epimastigotes infected in mouse blood measured on day 5 postinfection by Brener method ChEMBL. 18762357
IC50 (functional) = 3.4 uM Antitrypanosomal activity against Trypanosoma cruzi CL Brener epimastigotes after 5 days ChEMBL. 19900812
IC50 (functional) = 3.4 uM Antitrypanosomal activity against Trypanosoma brucei brucei ChEMBL. 19715342
IC50 (functional) = 3.4 uM Trypanocidal activity against Trypanosoma brucei brucei after 48 hrs ChEMBL. 16516467
IC50 (functional) = 3.59 uM Antitrypanosomal activity against epimastigotes of Trypanosoma cruzi Y assessed as parasite growth inhibition after 5 days by spectrophotometric analysis ChEMBL. 23816040
IC50 (functional) = 3.61 uM Growth inhibition of epimastigote form of Trypanosoma cruzi CL-B5 after 72 hrs by lacZ reporter gene assay ChEMBL. 23124218
IC50 (functional) = 3.98 uM Antitrypanosomal activity against wild type bloodstream form of Trypanosoma brucei brucei assessed as inhibition of parasite growth after 3 days by resazurin assay ChEMBL. 27092415
IC50 (functional) = 4 uM Antiparasitic activity against epimastigote stage of Trypanosoma cruzi infected in Vero cells assessed as parasite growth inhibition after 24 hrs by hemocytometery ChEMBL. 25173828
IC50 (functional) = 4.1 uM Inhibitory concentration of the compound against wild-type (427) trypanosoma brucei ChEMBL. 16107157
IC50 (functional) = 4.3 uM Inhibitory concentration of the compound against wild-type (427) with NAC trypanosoma brucei ChEMBL. 16107157
IC50 (functional) = 4.4 uM Anti-trypanosomal activity against Trypanosoma brucei gambiense Feo bloodstream forms assessed as inhibition of parasite growth rate after 72 hrs by resazurin assay ChEMBL. 25089808
IC50 (functional) = 4.41 uM Antimicrobial activity against bloodstream forms of Trypanosoma brucei brucei overexpressing type I nitroreductase assessed as reduction in cell viability after 3 days by alamar blue assay in absence of tetracycline ChEMBL. 26363868
IC50 (functional) = 4.41 uM Antiparasitic activity against blood stream form of Trypanosoma brucei brucei overexpressing type-1 nitroreductase after 3 days by Alamar blue assay in absence of tetracycline ChEMBL. 26344593
IC50 (functional) = 4.5 uM Antitrypanosomal activity against Trypanosoma cruzi tulahuen C4 trypomastigotes infected in african green monkey Vero cells assessed as CPRG cleavage after 120 hrs by microplate reader ChEMBL. 20356752
IC50 (functional) = 4.8 uM Antiparasitic activity against Trypanosoma cruzi 320I04 epimastigotes infected in african green monkey Vero cells after 72 hrs ChEMBL. 19321339
IC50 (functional) = 5.6 uM In vitro inhibitory concentration of the compound against blood stream trypanosoma brucei brucei AT1 wild type incubated for 72 h at 37 degree C ChEMBL. 16107157
IC50 (functional) = 5.7 uM Antitrypanosomal activity against Trypanosoma cruzi Dm28c epimastigotes assessed as inhibition of parasite proliferation after 5 days by hemocytometer analysis ChEMBL. 24561675
IC50 (functional) = 6 uM Antitrypanosomal activity against Trypanosoma cruzi ChEMBL. 17629327
IC50 (functional) = 6 uM Antitrypanosomal activity against Trypanosoma cruzi ChEMBL. 17629327
IC50 (functional) = 6 uM Antitrypanosomal activity against Trypanosoma cruzi epimastigotes ChEMBL. 19606868
IC50 (functional) = 6 uM Antimicrobial activity against Trypanosoma brucei brucei ChEMBL. 20185316
IC50 (functional) = 6.1 uM Antichagasic activity against Trypanosoma cruzi Tulahuen 2 ChEMBL. 21550147
IC50 (functional) = 6.359 uM Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei overexpressing type I nitroreductase assessed as inhibition of parasite growth after 3 days by resazurin assay in absence of tetracycline ChEMBL. 27092415
IC50 (functional) = 6.5 uM Antitrypanosomatid activity against Trypanosoma cruzi Y epimastigote form ChEMBL. 16722639
IC50 (functional) = 6.5 uM Antitrypanosomatid activity against Trypanosoma cruzi Y epimastigotes assessed as reduction of growth after 5 days ChEMBL. 17287123
IC50 (functional) = 6.5 uM Antitrypanosomal activity against Trypanosoma cruzi Y ChEMBL. 17960923
IC50 (functional) = 6.5 uM Antitrypanosomal activity against Trypanosoma cruzi Y epimastigotes after 48 hrs by MTT assay ChEMBL. 17981471
IC50 (functional) = 6.5 uM Antitrypanosomatid activity against Trypanosoma cruzi Y epimastigote form ChEMBL. 16722639
IC50 (functional) = 6.5 uM Antitrypanosomatid activity against Trypanosoma cruzi Y epimastigotes assessed as reduction of growth after 5 days ChEMBL. 17287123
IC50 (functional) = 6.5 uM Antitrypanosomal activity against Trypanosoma cruzi Y ChEMBL. 17960923
IC50 (functional) = 6.5 uM Antitrypanosomal activity against Trypanosoma cruzi Y epimastigotes after 48 hrs by MTT assay ChEMBL. 17981471
IC50 (functional) = 6.5 uM Antitrypanosomal activity against Trypanosoma cruzi Y epimastigotes ChEMBL. 18068272
IC50 (functional) = 7 uM Trypanocidal activity against Trypanosoma cruzi Y epimastigotes infected in mouse J774 cells assessed as growth inhibition of parasite measured on day 5 ChEMBL. 25008454
IC50 (functional) = 7.7 uM Antitrypanosomatid activity against Trypanosoma cruzi Tulahuen 2 epimastigote form ChEMBL. 16722639
IC50 (functional) = 7.7 uM Antitrypanosomatid activity against Trypanosoma cruzi Tulahuen 2 epimastigotes assessed as reduction of growth after 5 days ChEMBL. 17287123
IC50 (functional) = 7.7 uM Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 ChEMBL. 17960923
IC50 (functional) = 7.7 uM Growth inhibition of Trypanosoma cruzi epimastigotes Tulahuen 2 ChEMBL. 18083035
IC50 (functional) = 7.7 uM Antitrypanosomatid activity against Trypanosoma cruzi Tulahuen 2 epimastigote form ChEMBL. 16722639
IC50 (functional) = 7.7 uM Antitrypanosomatid activity against Trypanosoma cruzi Tulahuen 2 epimastigotes assessed as reduction of growth after 5 days ChEMBL. 17287123
IC50 (functional) = 7.7 uM Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 ChEMBL. 17960923
IC50 (functional) = 7.7 uM Growth inhibition of Trypanosoma cruzi epimastigotes Tulahuen 2 ChEMBL. 18083035
IC50 (functional) = 7.7 uM Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 ChEMBL. 19110434
IC50 (functional) = 7.7 uM Antitrypanosomal activity against epimastigotes of Trypanosoma cruzi Tulahuen 2 ChEMBL. 18547811
IC50 (functional) = 7.7 uM Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes after 5 days ChEMBL. 19168363
IC50 (functional) = 7.7 uM Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes ChEMBL. 18068272
IC50 (functional) = 7.7 uM Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes assessed as parasite growth inhibition after 5 days ChEMBL. 19837489
IC50 (functional) = 7.7 uM Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 assessed as inhibition of epimastigotes growth ChEMBL. 20116908
IC50 (functional) = 7.7 uM Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes ChEMBL. 20634064
IC50 (functional) = 7.7 uM Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes assessed as inhibition of parasite growth after 5 days by spectrophotometric analysis ChEMBL. 22000947
IC50 (functional) = 7.7 uM Trypanosomicidal activity against axenic epimastigote stage of Trypanosoma cruzi Tulahuen 2 assessed as growth inhibition ChEMBL. 23202852
IC50 (functional) = 7.7 uM Trypanocidal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes after 5 days ChEMBL. 26750255
IC50 (functional) = 7.7 uM Antichagasic activity against epimastigote form of Trypanosoma cruzi Tulahuen 2 assessed as parasite growth inhibition measured on day 5 ChEMBL. 23811257
IC50 (functional) = 8.5 uM Antitrypanosomatid activity against Trypanosoma cruzi CL Brener epimastigote form ChEMBL. 16722639
IC50 (functional) = 8.5 uM Antitrypanosomatid activity against Trypanosoma cruzi CL Brener epimastigotes assessed as reduction of growth after 5 days ChEMBL. 17287123
IC50 (functional) = 8.5 uM Antitrypanosomal activity against Trypanosoma cruzi CL Brener ChEMBL. 17960923
IC50 (functional) = 8.5 uM Antitrypanosomatid activity against Trypanosoma cruzi CL Brener epimastigote form ChEMBL. 16722639
IC50 (functional) = 8.5 uM Antitrypanosomatid activity against Trypanosoma cruzi CL Brener epimastigotes assessed as reduction of growth after 5 days ChEMBL. 17287123
IC50 (functional) = 8.5 uM Antitrypanosomal activity against Trypanosoma cruzi CL Brener ChEMBL. 17960923
IC50 (functional) = 8.5 uM Antitrypanosomal activity against epimastigotes of Trypanosoma cruzi CL Brener ChEMBL. 18547811
IC50 (functional) = 8.5 uM Antitrypanosomal activity against Trypanosoma cruzi CL Brener epimastigotes ChEMBL. 18068272
IC50 (functional) = 8.5 uM Antitrypanosomal activity against Trypanosoma cruzi CL Brener epimastigotes assessed as parasite viability after 5 days by MTT assay ChEMBL. 19837489
IC50 (functional) = 8.5 uM Antitrypanosomal activity against Trypanosoma cruzi Y trypomastigote form after 24 hrs by Trypan blue exclusion method ChEMBL. 19539479
IC50 (functional) = 8.6 uM Concentration required to inhibit proliferation of the epimastigote form of T. cruzi ChEMBL. 9554887
IC50 (functional) = 8.6 uM Concentration required to inhibit proliferation of the epimastigote form of T. cruzi ChEMBL. 9554887
IC50 (functional) = 9.5 uM Growth inhibition of Trypanosoma cruzi Tulahuen epimastigotes assessed as drug level causing decrease in growth constant ChEMBL. 18029184
IC50 (functional) = 9.5 uM Growth inhibition of Trypanosoma cruzi Tulahuen epimastigotes assessed as drug level causing decrease in growth constant ChEMBL. 18029184
IC50 (functional) = 10 uM Antitrypanosomal activity against Trypanosoma cruzi Tulahuen C4 in vero cells assessed as intracellular growth inhibition of trypomastigote by beta-galactosidase reporter gene assay ChEMBL. 18715036
IC50 (functional) = 10.67 uM Antitrypanosomal activity against epimastigote stage of Trypanosoma cruzi Tulahuen CL98 after 48 hrs by hemocytometry ChEMBL. 27345756
IC50 (functional) = 11 uM Antitrypanosomal activity against intracellular Trypanosoma cruzi Tulahuen clone C4 assessed as cleavage of chlorophenol red-beta-D-galactosidase ChEMBL. 15497945
IC50 (functional) = 11 uM Antitrypanosomal activity against Trypanosoma cruzi Tulahuen clone C4 trypomastigotes in HFF after 7 days by beta-galactosidase reporter gene assay ChEMBL. 12880308
IC50 (functional) = 11 uM Antitrypanosomal activity against Trypanosoma cruzi Tulahuen C4 infected in african green monkey Vero cells assessed as growth inhibition of trypomastigotes by beta-galactosidase reporter gene assay ChEMBL. 17067146
IC50 (functional) = 11.4 uM Inhibitory concentration of the compound against wild-type (427) trypanosoma brucei ChEMBL. 16107157
IC50 (ADMET) = 12 uM Cytotoxicity against human HeLa cells after 24 hrs by MTT assay ChEMBL. 19168363
IC50 (functional) = 12.84 uM Anti-trypanosomal activity against Trypanosoma cruzi Y epimastigote forms assessed as inhibition of parasite growth after 72 hrs by microplate reader based assay ChEMBL. 25899337
IC50 (functional) = 13.5 uM Antitrypanosomal activity against Trypanosoma cruzi at 16.9 uM ChEMBL. 19161344
IC50 (functional) = 13.5 uM Antiparasitic activity against Trypanosoma cruzi Tulahuen C4 infected african green monkey Vero cells expressing beta-galctosidase after 5 days ChEMBL. 20030365
IC50 (functional) = 21.05 uM Trypanocidal activity against epimastigote stage of Trypanosoma cruzi infected in african green monkey Vero cells assessed as cell viability after 24 hrs by MTT assay ChEMBL. 25127463
IC50 (ADMET) = 64.8 uM Cytotoxicity against human THP1 cells after 6 days by Alamar blue assay ChEMBL. 20028822
IC50 (functional) = 68 uM Inhibitory concentration of the compound in vitro against intracellular amastigotes of Leishmania donovani in rat skeletal myoblasts incubated for 96 h at 27 degree C ChEMBL. 16107157
IC50 (ADMET) > 100 uM Cytotoxicity against human THP1 cells by AlamarBlue assay ChEMBL. 24119553
IC50 (functional) > 200 uM Cytotoxicity against J774.1 cell line after 48 hrs ChEMBL. 16516467
IC50 (functional) > 200 uM Cytotoxicity against J774.1 cell line after 48 hrs ChEMBL. 16516467
IC50 = 263.44 uM Cytotoxicity against mouse RAW264 LITERATURE. 27908757
IC50 (ADMET) = 280.48 uM Cytotoxicity against mouse J774 cells after 48 hrs by MTT assay ChEMBL. 23816040
IC50 (ADMET) = 316 uM Cytotoxicity against mouse J774 cells assessed as cell viability after 48 hrs by MTT assay ChEMBL. 25008454
IC50 (ADMET) = 316 uM Cytotoxicity against mouse J774 cells assessed as cell viability after 48 hrs by MTT assay ChEMBL. 23811257
IC90 (functional) = 25 ug Antitrypanosomal activity against Trypanosoma cruzi Z2 after 48 hrs ChEMBL. 1919589
IC90 (functional) = 25 ug Antitrypanosomal activity against Trypanosoma cruzi C8 CL1 after 48 hrs ChEMBL. 1919589
IC90 (functional) = 25 ug Antitrypanosomal activity against Trypanosoma cruzi Y after 48 hrs ChEMBL. 1919589
IC90 (functional) = 25 ug Antitrypanosomal activity against Trypanosoma cruzi TeCL2 after 48 hrs ChEMBL. 1919589
IC90 (functional) = 25 ug Antitrypanosomal activity against Trypanosoma cruzi R107 after 48 hrs ChEMBL. 1919589
IC90 (functional) = 25 ug Antitrypanosomal activity against Trypanosoma cruzi A99CL7 after 48 hrs ChEMBL. 1919589
IC90 (functional) = 25 ug Antitrypanosomal activity against Trypanosoma cruzi Tulahuen after 48 hrs ChEMBL. 1919589
IC90 (functional) = 50 ug Antitrypanosomal activity against Trypanosoma cruzi MIL4CL10 after 48 hrs ChEMBL. 1919589
IC90 (functional) = 50 ug Antitrypanosomal activity against Trypanosoma cruzi Z1 after 48 hrs ChEMBL. 1919589
IC90 (functional) = 50 ug Antitrypanosomal activity against Trypanosoma cruzi Z2CL4 after 48 hrs ChEMBL. 1919589
IC90 (functional) = 50 ug Antitrypanosomal activity against Trypanosoma cruzi 13379 CL8 after 48 hrs ChEMBL. 1919589
IC90 (functional) = 50 ug Antitrypanosomal activity against Trypanosoma cruzi 9280CL1 after 48 hrs ChEMBL. 1919589
IC90 (functional) = 50 ug Antitrypanosomal activity against Trypanosoma cruzi M6241CL6 after 48 hrs ChEMBL. 1919589
IC90 (functional) > 100 ug Antitrypanosomal activity against Trypanosoma cruzi 13379 CL3 after 48 hrs ChEMBL. 1919589
IC90 (functional) = 100 ug Antitrypanosomal activity against Trypanosoma cruzi 13379 CL5 after 48 hrs ChEMBL. 1919589
IC90 (functional) > 100 ug Antitrypanosomal activity against Trypanosoma cruzi 13379 CL6 after 48 hrs ChEMBL. 1919589
IC90 (functional) = 100 ug Antitrypanosomal activity against Trypanosoma cruzi A98CL5 after 48 hrs ChEMBL. 1919589
IC90 (functional) = 100 ug Antitrypanosomal activity against Trypanosoma cruzi CL after 48 hrs ChEMBL. 1919589
IC90 (functional) = 100 ug Antitrypanosomal activity against Trypanosoma cruzi 27R27CL1 after 48 hrs ChEMBL. 1919589
IC90 (functional) = 100 ug Antitrypanosomal activity against Trypanosoma cruzi 31R16CL1 after 48 hrs ChEMBL. 1919589
IC90 (functional) = 9.06 uM Antitrypanosomal activity against Trypanosoma cruzi 320I01 amastigotes infected in african green monkey Vero cells after 5 days by Giemsa staining ChEMBL. 20627590
IC90 (functional) = 11 uM Antiparasitic activity against Trypanosoma cruzi 320I04 intracellular amastigotes infected in african green monkey Vero cells after 72 hrs ChEMBL. 19321339
IC90 (functional) = 17 uM Antiparasitic activity against Trypanosoma cruzi 320I04 epimastigotes infected in african green monkey Vero cells after 72 hrs ChEMBL. 19321339
IC90 (functional) = 23.41 uM Antitrypanosomal activity against Trypanosoma cruzi 320I01 epimastigotes after 72 hrs by haemocytometry ChEMBL. 20627590
ID50 (functional) = 3.4 mM Antitrypanosomal activity against Trypanosoma cruzi Colombiana after 5 days by MTT assay ChEMBL. 19616875
ID50 (functional) = 4.9 mM Antitrypanosomal activity against Trypanosoma cruzi CL Brener epimastigotes after 5 days by MTT assay ChEMBL. 19616875
ID50 (functional) = 9.7 mM Antitrypanosomal activity against Trypanosoma cruzi Y epimastigotes after 5 days by MTT assay ChEMBL. 19616875
ID50 (ADMET) = 316000 nM Cytotoxicity against mouse J774 cells ChEMBL. 21506600
ID50 (functional) = 3.4 uM In vitro inhibitory dose against epimastigote form of Trypanosoma cruzi Brener strain ChEMBL. 15203172
ID50 (functional) = 3.4 uM In vitro inhibitory dose against epimastigote form of Trypanosoma cruzi Brener strain ChEMBL. 15203172
ID50 (functional) = 3.4 uM Antitrypanosomal activity against Trypanosoma cruzi Colombiana epimastigotes assessed as cell death after 2 days by MTT assay ChEMBL. 21506600
ID50 (functional) = 4.9 uM Antitrypanosomal activity against Trypanosoma cruzi CL Brener assessed as parasite viability after 5 days by MTT assay ChEMBL. 18706821
ID50 (functional) = 4.9 uM Antitrypanosomal activity against Trypanosoma cruzi CL Brener clone epimastigotes assessed as cell death after 2 days by MTT assay ChEMBL. 21506600
ID50 (functional) = 7.7 uM In vitro inhibitory dose against epimastigote form of Trypanosoma cruzi Tulahuen strain ChEMBL. 15203172
ID50 (functional) = 7.7 uM In vitro inhibitory dose against epimastigote form of Trypanosoma cruzi Tulahuen strain ChEMBL. 15203172
ID50 (functional) = 7.7 uM Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 after 5 days ChEMBL. 17709156
ID50 (functional) = 7.7 uM Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 assessed as inhibition of epimastigotes growth after 5 days by MTT assay relative to control ChEMBL. 18706821
ID50 (functional) = 7.7 uM Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes assessed as inhibition of parasite growth after 5 days ChEMBL. 19616875
ID50 (functional) = 9.7 uM Antitrypanosomal activity against Trypanosoma cruzi Y assessed as parasite viability after 5 days by MTT assay ChEMBL. 18706821
ID50 (functional) = 9.7 uM Antitrypanosomal activity against Trypanosoma cruzi Y epimastigotes assessed as cell death after 2 days by MTT assay ChEMBL. 21506600
ID50 (ADMET) > 300 uM Cytotoxicity against human THP1 cells after 48 hrs ChEMBL. 17709156
ID50 (ADMET) = 316 uM Cytotoxicity against mouse J774 cells after 48 hrs by MTT assay ChEMBL. 19811923
ID50 (ADMET) = 316 uM Cytotoxicity against mouse J774 cells after 48 hrs by MTT assay ChEMBL. 20163894
ID50 (ADMET) = 346 uM Cytotoxicity against mouse J774 cells ChEMBL. 19616875
ID50 (functional) = 7700 uM Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes assessed as growth inhibition after 5 days ChEMBL. 21506600
Inhibition (functional) Antimicrobial activity against Trypanosoma brucei NfxR1 infected in NMRI mouse assessed as effect on parasitemia level at 100 mg/kg, ip QD for 3 days measured in 6 days by neubuaer hemocytometry ChEMBL. 20439607
Inhibition (binding) Inhibition of Trypanosoma brucei rhodesiense rhodesain after 12 hrs by fluorescence spectroscopy-based on-bead assay ChEMBL. 19715342
Inhibition (binding) Inhibition of human liver cathepsin B at 100 uM ChEMBL. 19715342
Inhibition (binding) Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain at 100 uM ChEMBL. 19715342
Inhibition (functional) % Inhibitory activity of the compound against proliferationof HTLV-1 transformed cell lines (HUT-102) at 10 microM; ND = Not determined ChEMBL. 15203133
Inhibition (functional) 0 % Inhibitory activity of the compound against proliferationof HTLV-1 transformed cell lines (HUT-102) at 10 microM; ND = Not determined ChEMBL. 15203133
Inhibition (functional) = 13.24 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 1 mg/mL after incubation for 98 hr ChEMBL. 15713399
Inhibition (functional) = 13.24 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 1 mg/mL after incubation for 98 hr ChEMBL. 15713399
Inhibition (functional) = 17.39 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 1 mg/mL after incubation for 24 hr ChEMBL. 15713399
Inhibition (functional) = 17.39 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 1 mg/mL after incubation for 24 hr ChEMBL. 15713399
Inhibition (functional) = 19.64 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 1 mg/mL after incubation for 72 hr ChEMBL. 15713399
Inhibition (functional) = 19.64 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 1 mg/mL after incubation for 72 hr ChEMBL. 15713399
Inhibition (functional) = 20 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 1 mg/mL after incubation for 48 hr ChEMBL. 15713399
Inhibition (functional) = 20 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 1 mg/mL after incubation for 48 hr ChEMBL. 15713399
Inhibition (functional) = 99 % Antitrypanosomal activity against Trypanosoma cruzi infected in albino CF1 mouse assessed as reduction in number of parasites in blood at 104 mg/kg/day, intramuscular treatment started on day 10 of infection up to day 14 ChEMBL. 69024
Inhibition (functional) = 100 % The compound was tested in vitro for antitrypanosomal activity against Trypanosoma cruzi epimastigotes at a dose of 25 microM ChEMBL. 10354402
Inhibition (functional) = 100 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 10 mg/mL after incubation for 98 hr ChEMBL. 15713399
Inhibition (functional) = 100 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 100 mg/mL after incubation for 98 hr ChEMBL. 15713399
Inhibition (functional) = 100 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 10 mg/mL after incubation for 24 hr ChEMBL. 15713399
Inhibition (functional) = 100 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 100 mg/mL after incubation for 24 hr ChEMBL. 15713399
Inhibition (functional) = 100 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 10 mg/mL after incubation for 48 hr ChEMBL. 15713399
Inhibition (functional) = 100 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 100 mg/mL after incubation for 48 hr ChEMBL. 15713399
Inhibition (functional) = 100 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 10 mg/mL after incubation for 72 hr ChEMBL. 15713399
Inhibition (functional) = 100 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 100 mg/mL after incubation for 72 hr ChEMBL. 15713399
Inhibition (functional) = 100 % The compound was tested in vitro for antitrypanosomal activity against Trypanosoma cruzi epimastigotes at a dose of 25 microM ChEMBL. 10354402
Inhibition (functional) = 100 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 10 mg/mL after incubation for 98 hr ChEMBL. 15713399
Inhibition (functional) = 100 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 100 mg/mL after incubation for 98 hr ChEMBL. 15713399
Inhibition (functional) = 100 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 10 mg/mL after incubation for 24 hr ChEMBL. 15713399
Inhibition (functional) = 100 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 100 mg/mL after incubation for 24 hr ChEMBL. 15713399
Inhibition (functional) = 100 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 10 mg/mL after incubation for 48 hr ChEMBL. 15713399
Inhibition (functional) = 100 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 100 mg/mL after incubation for 48 hr ChEMBL. 15713399
Inhibition (functional) = 100 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 10 mg/mL after incubation for 72 hr ChEMBL. 15713399
Inhibition (functional) = 100 % Percent of growth inhibition of Trypanosoma cruzi (Y strain) epimastigote forms at compound concentration of 100 mg/mL after incubation for 72 hr ChEMBL. 15713399
Inhibition (functional) = 100 % Trypanocidal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes at 25 uM after 5 days ChEMBL. 26750255
Ki (binding) Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain ChEMBL. 19715342
Ki (binding) Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain by standard fluorescence assay ChEMBL. 20131843
Ki (binding) Inhibition of Trypanosoma brucei rhodesiense rhodesain ChEMBL. 16516467
Ki (binding) Inhibition of human liver cathepsin B ChEMBL. 19715342
Ki (binding) 0 Inhibition of Trypanosoma brucei rhodesiense rhodesain ChEMBL. 16516467
LC50 (functional) Antimicrobial activity against Leishmania mexicana MHOM/BZ/61/M379 after 24 hrs by haemocytometry ChEMBL. 25899334
LC50 (functional) = 8.5 ug ml-1 Trypanocidal activity against epimastigote forms of Trypanosoma cruzi Queretaro after 24 hrs ChEMBL. 25238291
LC50 (functional) = 310 uM Antimicrobial activity against bloodstream trypomastigote stage of Trypanosoma cruzi INC-5 after 24 hrs by Brener method ChEMBL. 25899334
LD50 (ADMET) > 800 mg kg-1 Acute toxicity in ip dosed CFW mouse administered daily for 5 days ChEMBL. 406399
log1/IC50 (functional) = 4.89 Anti-trypanosomal activity against Trypanosoma cruzi Y epimastigote forms assessed as inhibition of parasite growth after 72 hrs by microplate reader based assay ChEMBL. 25899337
log1/IC50 (functional) = 5.14 Anti-trypanosomal activity against Trypanosoma cruzi Bug 2149 cl10 epimastigote forms assessed as inhibition of parasite growth after 72 hrs by microplate reader based assay ChEMBL. 25899337
log1/IC50 (functional) = 5.22 Anti-trypanosomal activity against Trypanosoma cruzi Silvio X10 cl1 epimastigote forms assessed as inhibition of parasite growth after 72 hrs by microplate reader based assay ChEMBL. 25899337
logD (ADMET) = 0.08 Partition coefficient (logD6.5) ChEMBL. 10891117
MIC (functional) = 15.2 ug ml-1 Antimicrobial activity against Trypanosoma brucei NfxR1 ChEMBL. 20439607
MIC (functional) = 200 uM Trypanocidal activity against Trypanosoma brucei brucei after 48 hrs ChEMBL. 16516467
MIC (functional) = 200 uM Trypanocidal activity against Trypanosoma brucei brucei after 48 hrs ChEMBL. 16516467
MST (functional) = 60 day Antiprotozoal activity against Trypanosoma cruzi BH infected in CFW mouse assessed as increase in host mean survival time at 100 mg/kg, ip administered daily for 5 days starting 4 hrs post-parasite infection (Rvb = 14 +/- 1 days) ChEMBL. 406399
Myoblasts with parasites (functional) = 6.75 % Growth inhibition of the intracellular T.cruzi was measured by counting percentage of myoblasts with T. cruzi parasite after 72 hr at the concentration of 5.0 (microg/mL) ChEMBL. 9554887
Myoblasts with parasites (functional) = 6.75 % Growth inhibition of the intracellular T.cruzi was measured by counting percentage of myoblasts with T. cruzi parasite after 72 hr at the concentration of 5.0 (microg/mL) ChEMBL. 9554887
Myoblasts with parasites (functional) = 7 % Growth inhibition of the intracellular T.cruzi was measured by counting percentage of myoblasts with T. cruzi parasite after 72 hr at the concentration of 2.5 (microg/mL) ChEMBL. 9554887
Myoblasts with parasites (functional) = 7 % Growth inhibition of the intracellular T.cruzi was measured by counting percentage of myoblasts with T. cruzi parasite after 72 hr at the concentration of 2.5 (microg/mL) ChEMBL. 9554887
Myoblasts with parasites (functional) = 12.5 % Growth inhibition of the intracellular T.cruzi was measured by counting percentage of myoblasts with T. cruzi parasite after 72 hr at the concentration of 1.0 (microg/mL) ChEMBL. 9554887
Myoblasts with parasites (functional) = 12.5 % Growth inhibition of the intracellular T.cruzi was measured by counting percentage of myoblasts with T. cruzi parasite after 72 hr at the concentration of 1.0 (microg/mL) ChEMBL. 9554887
Myoblasts with parasites (functional) = 13.5 % Growth inhibition of the intracellular T.cruzi was measured by counting percentage of myoblasts with T. cruzi parasite after 48 hr at the concentration of 2.5 (microg/mL) ChEMBL. 9554887
Myoblasts with parasites (functional) = 13.5 % Growth inhibition of the intracellular T.cruzi was measured by counting percentage of myoblasts with T. cruzi parasite after 48 hr at the concentration of 5.0 (microg/mL) ChEMBL. 9554887
Myoblasts with parasites (functional) = 13.5 % Growth inhibition of the intracellular T.cruzi was measured by counting percentage of myoblasts with T. cruzi parasite after 48 hr at the concentration of 2.5 (microg/mL) ChEMBL. 9554887
Myoblasts with parasites (functional) = 13.5 % Growth inhibition of the intracellular T.cruzi was measured by counting percentage of myoblasts with T. cruzi parasite after 48 hr at the concentration of 5.0 (microg/mL) ChEMBL. 9554887
Myoblasts with parasites (functional) = 14 % Growth inhibition of the intracellular T.cruzi was measured by counting percentage of myoblasts with T. cruzi parasite after 48 hr at the concentration of 1.0 (microg/mL) ChEMBL. 9554887
Myoblasts with parasites (functional) = 14 % Growth inhibition of the intracellular T.cruzi was measured by counting percentage of myoblasts with T. cruzi parasite after 48 hr at the concentration of 1.0 (microg/mL) ChEMBL. 9554887
Myoblasts with parasites (functional) = 16.25 % Growth inhibition of the intracellular T.cruzi was measured by counting percentage of myoblasts with T. cruzi parasite after 48 hr (absence of compound) ChEMBL. 9554887
Myoblasts with parasites (functional) = 16.25 % Growth inhibition of the intracellular T.cruzi was measured by counting percentage of myoblasts with T. cruzi parasite after 48 hr (absence of compound) ChEMBL. 9554887
Myoblasts with parasites (functional) = 20 % Growth inhibition of the intracellular T.cruzi was measured by counting percentage of myoblasts with T. cruzi parasite after 72 hr (absence of compound) ChEMBL. 9554887
Myoblasts with parasites (functional) = 20 % Growth inhibition of the intracellular T.cruzi was measured by counting percentage of myoblasts with T. cruzi parasite after 72 hr (absence of compound) ChEMBL. 9554887
Myoblasts with parasites (functional) = 34.5 % Growth inhibition of the intracellular T.cruzi was measured by counting percentage of myoblasts with T. cruzi parasite after 24 h (absence of compound) ChEMBL. 9554887
Myoblasts with parasites (functional) = 34.5 % Growth inhibition of the intracellular T.cruzi was measured by counting percentage of myoblasts with T. cruzi parasite after 24 h (absence of compound) ChEMBL. 9554887
P2 uptake (binding) In vitro inhibitory concentration against P2 aminopurine transporter of trypanosoma brucei brucei 427 adenosine (0.5 uM) uptake in presence of 1 mM inosine; ND=not determined ChEMBL. 16107157
pKa ND 0 Ionization constant (pKa) ChEMBL. 10891117
R (functional) = 9.25 % Growth inhibition of the intracellular T. cruzi was measured by no. of parasites per 100 myoblasts (T. cruzi ) after 72 hr at the concentration of 5.0 (microg/mL) ChEMBL. 9554887
R (functional) = 9.25 % Growth inhibition of the intracellular T. cruzi was measured by no. of parasites per 100 myoblasts (T. cruzi ) after 72 hr at the concentration of 5.0 (microg/mL) ChEMBL. 9554887
R (functional) = 20.25 % Growth inhibition of the intracellular T. cruzi was measured by no. of parasites per 100 myoblasts (T. cruzi ) after 72 hr at the concentration of 2.5 (microg/mL) ChEMBL. 9554887
R (functional) = 20.25 % Growth inhibition of the intracellular T. cruzi was measured by no. of parasites per 100 myoblasts (T. cruzi ) after 72 hr at the concentration of 2.5 (microg/mL) ChEMBL. 9554887
R (functional) = 27 % Growth inhibition of the intracellular T. cruzi was measured by no. of parasites per 100 myoblasts (T. cruzi ) after 48 hr at the concentration of 5.0 (microg/mL) ChEMBL. 9554887
R (functional) = 27 % Growth inhibition of the intracellular T. cruzi was measured by no. of parasites per 100 myoblasts (T. cruzi ) after 48 hr at the concentration of 5.0 (microg/mL) ChEMBL. 9554887
R (functional) = 34.75 % Growth inhibition of the intracellular T. cruzi was measured by no. of parasites per 100 myoblasts (T. cruzi ) after 48 hr at the concentration of 2.5 (microg/mL) ChEMBL. 9554887
R (functional) = 34.75 % Growth inhibition of the intracellular T. cruzi was measured by no. of parasites per 100 myoblasts (T. cruzi ) after 48 hr at the concentration of 2.5 (microg/mL) ChEMBL. 9554887
R (functional) = 64.5 % Growth inhibition of the intracellular T. cruzi was measured by no. of parasites per 100 myoblasts (T. cruzi ) after 48 hr at the concentration of 1.0 (microg/mL) ChEMBL. 9554887
R (functional) = 64.5 % Growth inhibition of the intracellular T. cruzi was measured by no. of parasites per 100 myoblasts (T. cruzi ) after 48 hr at the concentration of 1.0 (microg/mL) ChEMBL. 9554887
R (functional) = 70.5 % Growth inhibition of the intracellular T. cruzi was measured by no. of parasites per 100 myoblasts (T. cruzi ) after 72 hr at the concentration of 1.0 (microg/mL) ChEMBL. 9554887
R (functional) = 70.5 % Growth inhibition of the intracellular T. cruzi was measured by no. of parasites per 100 myoblasts (T. cruzi ) after 72 hr at the concentration of 1.0 (microg/mL) ChEMBL. 9554887
R (functional) = 80.25 % Growth inhibition of the intracellular T. cruzi was measured by counting no. of parasites per 100 myoblasts (T. cruzi ) after 24 h (absence of compound) ChEMBL. 9554887
R (functional) = 80.25 % Growth inhibition of the intracellular T. cruzi was measured by counting no. of parasites per 100 myoblasts (T. cruzi ) after 24 h (absence of compound) ChEMBL. 9554887
R (functional) = 155 % Growth inhibition of the intracellular T. cruzi was measured by counting no. of parasites per 100 myoblasts (T. cruzi ) after 48 hr (absence of compound) ChEMBL. 9554887
R (functional) = 155 % Growth inhibition of the intracellular T. cruzi was measured by counting no. of parasites per 100 myoblasts (T. cruzi ) after 48 hr (absence of compound) ChEMBL. 9554887
R (functional) = 321 % Growth inhibition of the intracellular T. cruzi was measured by no. of parasites per 100 myoblasts (T. cruzi ) after 72 hr (absence of compound) ChEMBL. 9554887
R (functional) = 321 % Growth inhibition of the intracellular T. cruzi was measured by no. of parasites per 100 myoblasts (T. cruzi ) after 72 hr (absence of compound) ChEMBL. 9554887
Ratio EC50 (functional) = 8 Selectivity ratio of EC50 for Trypanosoma brucei NfxR1 to EC50 for Trypanosoma brucei ChEMBL. 20439607
Ratio EC50 (functional) = 8 Selectivity ratio of EC50 for Trypanosoma brucei NfxR2 to EC50 for Trypanosoma brucei ChEMBL. 20439607
Ratio IC50 (functional) = 1.5 Ratio of nifurtimox IC50 to compound IC50 for axenic epimastigote stage of Trypanosoma cruzi Tulahuen 2 ChEMBL. 23202852
Ratio IC50 (functional) = 2 Selectivity index, ratio of IC50 for Trypanosoma cruzi Silvio X10 cl1 to IC50 for Trypanosoma cruzi Y ChEMBL. 25899337
Ratio IC50 (functional) = 2 Selectivity index, ratio of IC50 for Trypanosoma cruzi Bug 2149 cl10 to IC50 for Trypanosoma cruzi Y ChEMBL. 25899337
Ratio IC50 (functional) = 7 Ratio of IC50 for wild type Trypanosoma brucei bloodstream form to IC50 for Trypanosoma brucei bloodstream form overexpressing nitroreductase ChEMBL. 23031595
Ratio IC50 (functional) = 7.3 Ratio of IC50 for bloodstream form of Trypanosoma brucei brucei overexpressing type I nitroreductase in absence of tetracycline to IC50 for bloodstream form of Trypanosoma brucei brucei overexpressing type I nitroreductase in presence of tetracycline ChEMBL. 27092415
Ratio IC50 (functional) = 10.3 Ratio of IC50 for blood stream form of Trypanosoma brucei brucei overexpressing type-1 nitroreductase in absence of tetracycline to IC50 for blood stream form of Trypanosoma brucei brucei overexpressing type-1 nitroreductase in presence of tetracycline ChEMBL. 26344593
Ratio IC50 (functional) = 10.3 Ratio of IC50 for bloodstream forms of Trypanosoma brucei brucei overexpressing type I nitroreductase in absence of tetracycline to IC50 for bloodstream forms of Trypanosoma brucei brucei overexpressing type I nitroreductase in presence of tetracycline ChEMBL. 26363868
Ratio IC50 (functional) = 11.4 Ratio of nifurtimox IC50 to compound IC50 for amastigote stage of Trypanosoma cruzi Tulahuen C4 ChEMBL. 23202852
Ratio IC50 (functional) = 13 Selectivity ratio of IC50 for Trypanosoma brucei brucei Lister 427 clone 221a overexpressing tet-inducible NTR in presence of tetracycline to IC50 for Trypanosoma brucei brucei overexpressing tet-inducible NTR in absence of tetracyclin ChEMBL. 22550999
Ratio IC50 (functional) = 13 Ratio of IC50 for blood-stream Trypanosoma brucei brucei expressing type 1 nitroreductase in the absence of tetracycline to IC50 for tetracycline-induced blood-stream Trypanosoma brucei brucei overexpressing type 1 nitroreductase ChEMBL. 22023653
Ratio IC50 (functional) = 13.2 Ratio of IC50 for bloodstream forms of Trypanosoma brucei brucei Lister 427 clone 221a overexpressing type I nitroreductase in absence of tetracycline to IC50 for bloodstream forms of Trypanosoma brucei brucei Lister 427 clone 221a overexpressing type I nitroreductase in presence of tetracycline ChEMBL. 25240098
Ratio IC50 (functional) > 58 Selectivity index, IC50 for J774.1/IC50 for Trypanosoma brucei brucei ChEMBL. 16516467
TIME (functional) = 7.3 hr Antimicrobial activity against wild type Trypanosoma brucei assessed as growth doubling time ChEMBL. 20439607
TIME (functional) = 12.8 hr Antimicrobial activity against nifurtimox-resistant Trypanosoma brucei assessed as growth doubling time ChEMBL. 20439607

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma brucei ChEMBL23 16107157
Trypanosoma cruzi ChEMBL23 12781185
Homo sapiens ChEMBL23 19168363
Trypanosoma brucei gambiense 16107157

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

Affected Entity Phenotypic quality Occurs in Occurs at Evidence Observed in Targets
catalytic activity (GO:0003824) decreased (PATO:0000468) in vitro (MI:0492) inferred from specific protein inhibition (ECO:0000020) Leishmania donovani 22664  
Annotator: aaronjr@u.washington.edu Comment: Drug: 16037-91-5. chemical inhibition with various inhibitors leads to reduced enzyme activity in vitro; References: 15766869
response to drug (GO:0042493) decreased sensitivity toward (PATO:0001550) epimastigote (BTO:0000409) inferred from gain-of-function mutant phenotype (ECO:0000042) Trypanosoma cruzi 34081  
Annotator: millerja@u.washington.edu Comment: References: 18367671
response to drug (GO:0042493) decreased sensitivity toward (PATO:0001550) epimastigote (BTO:0000409) inferred from gain-of-function mutant phenotype (ECO:0000042) Trypanosoma cruzi 32922  
Annotator: millerja@u.washington.edu Comment: References: 18367671

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

265 literature references were collected for this gene.

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